1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-
TL;DR: 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- (CAS 67906-32-5) is a chemical compound with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-5-(4-methylanilino)terephthalic acid
Also Known As: Terephthalic acid, 2-anilino-5-p-toluidino-, 5-anilino-2-[amino]terephthalicacid, 5-anilino-2-[ amino]terephthalicacid, 1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-, 2-anilino-5-(4-methylanilino)terephthalic acid
| Molecular Formula | C21H18N2O4 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.12665 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 67906-32-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=CC=C3)C(=O)O |
| InChIKey | SVKUUKYLRANQTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- (CAS 67906-32-5), with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol. IUPAC: 2-anilino-5-(4-methylanilino)terephthalic acid.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-
Property Insights of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-
The XLogP value of 5.5 indicates that 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-?
The CAS number of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- is 67906-32-5.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-?
The molecular formula of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- is C21H18N2O4.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-?
The molecular weight of 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- is 362.13 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-?
You can request a quote for 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.